Materials Data on Ce(In2Pd)2 by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280070· OSTI ID:1280070

CePd2In4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.25 Å) and two longer (3.36 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.25–3.69 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–3.06 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.72–2.80 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms. In the second In site, In is bonded in a 4-coordinate geometry to one Ce and four Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Pd atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1280070
• Report Number(s): mp-641911
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce(In2Pd)2
Ce-In-Pd
crystal structure